6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one

C14H16Cl2O2 — CID 20520767

IUPAC6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)C(CC(C)C)C2
InChIInChI=1S/C14H16Cl2O2/c1-7(2)4-9-5-8-6-10(18-3)12(15)13(16)11(8)14(9)17/h6-7,9H,4-5H2,1-3H3
InChIKeyDAKBNJHCJYTZOV-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.40
Rot. Bonds3

About 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one

6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one (PubChem CID 20520767) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one
PubChem CID20520767
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)C(CC(C)C)C2
InChIInChI=1S/C14H16Cl2O2/c1-7(2)4-9-5-8-6-10(18-3)12(15)13(16)11(8)14(9)17/h6-7,9H,4-5H2,1-3H3
InChIKeyDAKBNJHCJYTZOV-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one (CID 20520767) is 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one is COc1cc2c(c(Cl)c1Cl)C(=O)C(CC(C)C)C2.
What is the InChIKey of 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
The InChIKey is DAKBNJHCJYTZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c1-7(2)4-9-5-8-6-10(18-3)12(15)13(16)11(8)14(9)17/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one has a molecular weight of 287.19 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 20520767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).